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	hartrees
Energy at 0K	-79.595710
Energy at 298.15K	-79.601662
HF Energy	-79.238135
Nuclear repulsion energy	42.281889

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_1g	3099	3099
2	A_1g	1481	1481
3	A_1g	1034	1034
4	A_1u	329	329
5	A_2u	3097	3097
6	A_2u	1453	1453
7	E_g	3168	3168
7	E_g	3168	3168
8	E_g	1555	1555
8	E_g	1554	1554
9	E_g	1262	1262
9	E_g	1262	1262
10	E_u	3189	3189
10	E_u	3189	3189
11	E_u	1560	1560
11	E_u	1560	1560
12	E_u	839	839
12	E_u	839	839

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.764
C2	0.000	0.000	-0.764
H3	0.000	1.017	1.157
H4	-0.881	-0.509	1.157
H5	0.881	-0.509	1.157
H6	0.000	-1.017	-1.157
H7	-0.881	0.509	-1.157
H8	0.881	0.509	-1.157

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5272	1.0906	1.0906	1.0906	2.1735	2.1735	2.1735
C2	1.5272		2.1735	2.1735	2.1735	1.0906	1.0906	1.0906
H3	1.0906	2.1735		1.7617	1.7617	3.0814	2.5281	2.5281
H4	1.0906	2.1735	1.7617		1.7617	2.5281	2.5281	3.0814
H5	1.0906	2.1735	1.7617	1.7617		2.5281	3.0814	2.5281
H6	2.1735	1.0906	3.0814	2.5281	2.5281		1.7617	1.7617
H7	2.1735	1.0906	2.5281	2.5281	3.0814	1.7617		1.7617
H8	2.1735	1.0906	2.5281	3.0814	2.5281	1.7617	1.7617

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.156	C1	C2	H7	111.156
C1	C2	H8	111.156	C2	C1	H3	111.156
C2	C1	H4	111.156	C2	C1	H5	111.156
H3	C1	H4	107.735	H3	C1	H5	107.735
H4	C1	H5	107.735	H6	C2	H7	107.735
H6	C2	H8	107.735	H7	C2	H8	107.735

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: CCSD(T)=FULL/6-31G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C2H6 (Ethane)

using model chemistry: CCSD(T)=FULL/6-31G**

States and conformations

All results from a given calculation for C₂H₆ (Ethane)